N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

C30H31N7O2 — CID 51136173

About N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 51136173) has the molecular formula C30H31N7O2 and a molecular weight of 521.63 g/mol. Its IUPAC name is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
• PubChem CID: 51136173
• Molecular Formula: C30H31N7O2
• Molecular Weight: 521.63 g/mol
• Exact Mass: 521.25
• IUPAC Name: N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
• SMILES: Cc1ccccc1-c1noc(CN2CCC(CN(Cc3nc(-c4ccccc4C)no3)c3ccccn3)C2)n1
• InChI: InChI=1S/C30H31N7O2/c1-21-9-3-5-11-24(21)29-32-27(38-34-29)19-36-16-14-23(17-36)18-37(26-13-7-8-15-31-26)20-28-33-30(35-39-28)25-12-6-4-10-22(25)2/h3-13,15,23H,14,16-20H2,1-2H3
• InChIKey: UORYUDJTWDUUMC-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 97.21 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.63
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?

The IUPAC name of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 51136173) is N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine.

What is the SMILES notation for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?

The canonical SMILES for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is Cc1ccccc1-c1noc(CN2CCC(CN(Cc3nc(-c4ccccc4C)no3)c3ccccn3)C2)n1.

What is the InChIKey of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?

The InChIKey is UORYUDJTWDUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2/c1-21-9-3-5-11-24(21)29-32-27(38-34-29)19-36-16-14-23(17-36)18-37(26-13-7-8-15-31-26)20-28-33-30(35-39-28)25-12-6-4-10-22(25)2/h3-13,15,23H,14,16-20H2,1-2H3.

What are the key properties of N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine?

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 521.63 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 51136173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).